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E-2-METHYL-3-ISOTHIOCYANATO-1-PROPENYLTHIOCYANATE
SpectraBase Compound ID 5K7KBn82uHE
InChI InChI=1S/C6H6N2S2/c1-6(2-8-5-9)3-10-4-7/h3H,2H2,1H3/b6-3+
InChIKey ZAAPUKYVZLNLJP-ZZXKWVIFSA-N
Mol Weight 170.25 g/mol
Molecular Formula C6H6N2S2
Exact Mass 169.997241 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B40i3Ptsot4
Name E-2-METHYL-3-ISOTHIOCYANATO-1-PROPENYLTHIOCYANATE
Comments AS
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H6N2S2
InChI InChI=1S/C6H6N2S2/c1-6(2-8-5-9)3-10-4-7/h3H,2H2,1H3/b6-3+
InChIKey ZAAPUKYVZLNLJP-ZZXKWVIFSA-N
Instrument Name Jeol FX-100
Literature Reference V.R.KARTASHOV, E.V.SKOROBOGATOVA, P.S.AFANAS'EV, V.A.CHERTKOV, N.M.SERGEEV,N.S.ZEFIROV (1992) Zhurn.Org.Khim.(Russ. Lang.): v.28, N12, 2477-2482.
NMR Standard CDCL3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d